Iron in PDB 1u5u: The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold

All present enzymatic activity of The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold:
4.2.1.92;

The structure of The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold, PDB code: 1u5u was solved by M.L.Oldham, A.R.Brash, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.83 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.940, 76.679, 77.761, 90.00, 109.66, 90.00
R / Rfree (%)	19.6 / 23.9

The binding sites of Iron atom in the The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold (pdb code 1u5u). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold, PDB code: 1u5u:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe999 b:21.8 occ:1.00 FE A:HEM999 0.0 21.8 1.0 ND A:HEM999 2.1 14.8 1.0 NA A:HEM999 2.1 14.4 1.0 NB A:HEM999 2.1 14.7 1.0 NC A:HEM999 2.1 14.1 1.0 OH A:TYR353 2.2 13.5 1.0 O A:HOH1122 2.9 20.3 1.0 C1D A:HEM999 3.1 13.7 1.0 C4C A:HEM999 3.1 14.4 1.0 C4B A:HEM999 3.1 14.0 1.0 C4D A:HEM999 3.1 14.8 1.0 C1A A:HEM999 3.1 14.3 1.0 C4A A:HEM999 3.1 14.3 1.0 C1C A:HEM999 3.1 14.2 1.0 CZ A:TYR353 3.1 11.4 1.0 C1B A:HEM999 3.1 14.3 1.0 CHD A:HEM999 3.4 14.2 1.0 CHC A:HEM999 3.4 11.1 1.0 CHA A:HEM999 3.4 12.8 1.0 CHB A:HEM999 3.4 13.0 1.0 O A:HOH1059 3.5 19.7 1.0 CE1 A:TYR353 3.6 10.5 1.0 CE2 A:TYR353 4.1 10.7 1.0 NE A:ARG349 4.2 11.0 1.0 NH2 A:ARG349 4.3 14.9 1.0 C2D A:HEM999 4.3 13.0 1.0 C3D A:HEM999 4.3 12.9 1.0 C3B A:HEM999 4.3 12.3 1.0 C2A A:HEM999 4.3 12.8 1.0 C3A A:HEM999 4.3 13.0 1.0 C3C A:HEM999 4.3 14.5 1.0 C2B A:HEM999 4.3 13.9 1.0 C2C A:HEM999 4.3 13.9 1.0 OG1 A:THR66 4.6 13.6 1.0 CZ A:ARG349 4.6 14.3 1.0 CE1 A:HIS67 4.6 12.5 1.0 CD1 A:TYR353 4.9 10.0 1.0

Iron binding site 2 out of 2 in the The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of An Allene Oxide Synthase Reveals A Novel Use For A Catalase Fold within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe999 b:24.3 occ:1.00 FE B:HEM999 0.0 24.3 1.0 ND B:HEM999 2.0 16.7 1.0 NA B:HEM999 2.1 15.8 1.0 NB B:HEM999 2.1 15.4 1.0 NC B:HEM999 2.1 15.8 1.0 OH B:TYR353 2.2 14.3 1.0 O B:HOH1087 2.8 21.5 1.0 C1D B:HEM999 3.1 17.3 1.0 C4C B:HEM999 3.1 17.8 1.0 C4D B:HEM999 3.1 17.4 1.0 C1A B:HEM999 3.1 14.6 1.0 C4B B:HEM999 3.1 15.7 1.0 C4A B:HEM999 3.1 15.2 1.0 C1C B:HEM999 3.1 15.9 1.0 C1B B:HEM999 3.1 15.2 1.0 CZ B:TYR353 3.1 13.6 1.0 CHD B:HEM999 3.4 17.4 1.0 CHA B:HEM999 3.4 15.7 1.0 CHC B:HEM999 3.4 14.2 1.0 CHB B:HEM999 3.5 13.7 1.0 CE1 B:TYR353 3.7 13.6 1.0 O B:HOH1156 3.7 26.3 1.0 CE2 B:TYR353 4.1 14.7 1.0 NE B:ARG349 4.2 10.7 1.0 NH2 B:ARG349 4.3 9.8 1.0 C2D B:HEM999 4.3 17.1 1.0 C3D B:HEM999 4.3 17.0 1.0 C3B B:HEM999 4.3 15.7 1.0 C2A B:HEM999 4.3 12.9 1.0 C3A B:HEM999 4.3 14.3 1.0 C3C B:HEM999 4.3 16.6 1.0 C2C B:HEM999 4.3 15.9 1.0 C2B B:HEM999 4.3 15.3 1.0 OG1 B:THR66 4.6 16.1 1.0 CZ B:ARG349 4.6 11.2 1.0 CE1 B:HIS67 4.6 12.2 1.0 CD1 B:TYR353 5.0 13.0 1.0

M.L.Oldham, A.R.Brash, M.E.Newcomer. The Structure of Coral Allene Oxide Synthase Reveals A Catalase Adapted For Metabolism of A Fatty Acid Hydroperoxide. Proc.Natl.Acad.Sci.Usa V. 102 297 2005.
ISSN: ISSN 0027-8424
PubMed: 15625113
DOI: 10.1073/PNAS.0406352102